N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine

C14H20FNO2 — CID 81106162

IUPACN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCCF)c(CNC2CC2)c1
InChIInChI=1S/C14H20FNO2/c1-17-13-5-6-14(18-8-2-7-15)11(9-13)10-16-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyRWIPQMGTWKUUQG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.69
Rot. Bonds8

About N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine

N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 81106162) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
PubChem CID81106162
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCCF)c(CNC2CC2)c1
InChIInChI=1S/C14H20FNO2/c1-17-13-5-6-14(18-8-2-7-15)11(9-13)10-16-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyRWIPQMGTWKUUQG-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine (CID 81106162) is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(OCCCF)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is RWIPQMGTWKUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-5-6-14(18-8-2-7-15)11(9-13)10-16-12-3-4-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 253.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).